SCHEMBL6981760

SCHEMBL6981760

CN(C)c1ccc(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OC(C)(C)C2OC32)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 5/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
BAZ1A Q9NRL2 1/20 0.37
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6980817 0.90 KCNH2 (0.56) KCNH2MAPK1L3MBTL1PKMMAPT
SCHEMBL6982472 0.88 KCNH2 (0.55) KCNH2MAPK1L3MBTL1PKMMAPT
SCHEMBL6583582 0.88 KCNH2 (0.70) KCNH2MAPK1L3MBTL1PKMMAPT
SCHEMBL6583579 0.88 KCNH2 (0.70) KCNH2MAPK1L3MBTL1PKMMAPT
SCHEMBL6163980 0.83 KCNH2 (0.47) KCNH2MAPK1L3MBTL1PKMMAPT
SCHEMBL12961840 0.80 KCNH2 (0.42) KCNH2PKMMAPTNPSR1LMNA
SCHEMBL14765557 0.80 KCNH2 (0.42) KCNH2PKMMAPTNPSR1LMNA
SCHEMBL6161775 0.80 KCNH2 (0.42) KCNH2PKMMAPTNPSR1LMNA
SCHEMBL13951737 0.80 KCNH2 (0.42) KCNH2PKMMAPTNPSR1LMNA
SCHEMBL6978258 0.77 HCAR3 (0.52) KCNH2MAPK1MAPTALDH1A1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed